18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide

C162H102N14O10P4 — CID 161382960

About 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide

18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide (PubChem CID 161382960) has the molecular formula C162H102N14O10P4 and a molecular weight of 2528.58 g/mol. Its IUPAC name is 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide.

Molecular Properties

• Compound Name: 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide
• PubChem CID: 161382960
• Molecular Formula: C162H102N14O10P4
• Molecular Weight: 2528.58 g/mol
• Exact Mass: 2526.69
• IUPAC Name: 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide
• SMILES: O=P1(c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2Oc2cc3c(cc21)c1ccccc1n3-c1ccccc1.O=P1(c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2Oc2cc3oc4ccccc4c3cc21.O=P1(c2ccccc2)c2ccccc2Oc2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.O=P1(c2ccccc2)c2ccccc2Oc2cc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3cc21
• InChI: InChI=1S/C45H29N4O2P.C39H25N4O2P.2C39H24N3O3P/c50-52(34-21-11-4-12-22-34)41-27-32(45-47-43(30-15-5-1-6-16-30)46-44(48-45)31-17-7-2-8-18-31)25-26-39(41)51-40-29-38-36(28-42(40)52)35-23-13-14-24-37(35)49(38)33-19-9-3-10-20-33;44-46(28-18-8-3-9-19-28)35-23-13-12-22-33(35)45-34-25-32-30(24-36(34)46)29-20-10-11-21-31(29)43(32)39-41-37(26-14-4-1-5-15-26)40-38(42-39)27-16-6-2-7-17-27;43-46(28-16-8-3-9-17-28)35-19-11-10-18-32(35)45-34-24-33-30(23-36(34)46)29-22-27(20-21-31(29)44-33)39-41-37(25-12-4-1-5-13-25)40-38(42-39)26-14-6-2-7-15-26;43-46(28-16-8-3-9-17-28)35-22-27(39-41-37(25-12-4-1-5-13-25)40-38(42-39)26-14-6-2-7-15-26)20-21-32(35)45-34-24-33-30(23-36(34)46)29-18-10-11-19-31(29)44-33/h1-29H;1-25H;2*1-24H
• InChIKey: VRYPWDGPWWXYLW-UHFFFAOYSA-N
• XLogP: 34.80
• TPSA: 296.02 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 17
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2528.58
LogP ≤ 5	34.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide?

The IUPAC name of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide (CID 161382960) is 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide.

What is the SMILES notation for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide?

The canonical SMILES for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide is O=P1(c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2Oc2cc3c(cc21)c1ccccc1n3-c1ccccc1.O=P1(c2ccccc2)c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2Oc2cc3oc4ccccc4c3cc21.O=P1(c2ccccc2)c2ccccc2Oc2cc3c(cc21)c1ccccc1n3-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.O=P1(c2ccccc2)c2ccccc2Oc2cc3oc4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4c3cc21.

What is the InChIKey of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide?

The InChIKey is VRYPWDGPWWXYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N4O2P.C39H25N4O2P.2C39H24N3O3P/c50-52(34-21-11-4-12-22-34)41-27-32(45-47-43(30-15-5-1-6-16-30)46-44(48-45)31-17-7-2-8-18-31)25-26-39(41)51-40-29-38-36(28-42(40)52)35-23-13-14-24-37(35)49(38)33-19-9-3-10-20-33;44-46(28-18-8-3-9-19-28)35-23-13-12-22-33(35)45-34-25-32-30(24-36(34)46)29-20-10-11-21-31(29)43(32)39-41-37(26-14-4-1-5-15-26)40-38(42-39)27-16-6-2-7-17-27;43-46(28-16-8-3-9-17-28)35-19-11-10-18-32(35)45-34-24-33-30(23-36(34)46)29-22-27(20-21-31(29)44-33)39-41-37(25-12-4-1-5-13-25)40-38(42-39)26-14-6-2-7-15-26;43-46(28-16-8-3-9-17-28)35-22-27(39-41-37(25-12-4-1-5-13-25)40-38(42-39)26-14-6-2-7-15-26)20-21-32(35)45-34-24-33-30(23-36(34)46)29-18-10-11-19-31(29)44-33/h1-29H;1-25H;2*1-24H.

What are the key properties of 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide?

18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide has a molecular weight of 2528.58 g/mol, XLogP of 34.80, 17 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,21-diphenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;6-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene 21-oxide;18-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-10,14-dioxa-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene 21-oxide;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-21-phenyl-14-oxa-10-aza-21λ5-phosphapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene 21-oxide is sourced from PubChem (CID 161382960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).